6-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinoline

C22H26N4O — CID 73293991

IUPAC6-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinoline
SMILESCC1(C)CC(Oc2ccc(-c3ccc4cnccc4c3)nn2)CC(C)(C)N1
InChIInChI=1S/C22H26N4O/c1-21(2)12-18(13-22(3,4)26-21)27-20-8-7-19(24-25-20)16-5-6-17-14-23-10-9-15(17)11-16/h5-11,14,18,26H,12-13H2,1-4H3
InChIKeyAEOSGEZAMPZXCG-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.38
Rot. Bonds3

About 6-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinoline

6-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinoline (PubChem CID 73293991) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 6-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinoline.

Molecular Properties

Compound Name6-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinoline
PubChem CID73293991
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name6-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinoline
SMILESCC1(C)CC(Oc2ccc(-c3ccc4cnccc4c3)nn2)CC(C)(C)N1
InChIInChI=1S/C22H26N4O/c1-21(2)12-18(13-22(3,4)26-21)27-20-8-7-19(24-25-20)16-5-6-17-14-23-10-9-15(17)11-16/h5-11,14,18,26H,12-13H2,1-4H3
InChIKeyAEOSGEZAMPZXCG-UHFFFAOYSA-N
XLogP4.38
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinoline?
The IUPAC name of 6-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinoline (CID 73293991) is 6-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinoline.
What is the SMILES notation for 6-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinoline?
The canonical SMILES for 6-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinoline is CC1(C)CC(Oc2ccc(-c3ccc4cnccc4c3)nn2)CC(C)(C)N1.
What is the InChIKey of 6-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinoline?
The InChIKey is AEOSGEZAMPZXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-21(2)12-18(13-22(3,4)26-21)27-20-8-7-19(24-25-20)16-5-6-17-14-23-10-9-15(17)11-16/h5-11,14,18,26H,12-13H2,1-4H3.
What are the key properties of 6-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinoline?
6-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinoline has a molecular weight of 362.48 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinoline is sourced from PubChem (CID 73293991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).